2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride

C14H21ClN2O2 — CID 119452617

IUPAC2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCc1ccc(C)c(OCC(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10-3-4-11(2)13(7-10)18-9-14(17)16-12-5-6-15-8-12;/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyPQNROMOGXHGJQO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.58
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119452617) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119452617
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCc1ccc(C)c(OCC(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10-3-4-11(2)13(7-10)18-9-14(17)16-12-5-6-15-8-12;/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17);1H
InChIKeyPQNROMOGXHGJQO-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
2-(2,5-dimethylphenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]acetamide
CID 55949493
N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120554661

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119452617) is 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride is Cc1ccc(C)c(OCC(=O)NC2CCNC2)c1.Cl.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is PQNROMOGXHGJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-10-3-4-11(2)13(7-10)18-9-14(17)16-12-5-6-15-8-12;/h3-4,7,12,15H,5-6,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119452617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).